The 2-tert-Butyl-1,4-phenylene diacetate is an organic compound with the formula C14H18O4. The IUPAC name of this chemical is (4-acetyloxy-3-tert-butylphenyl) acetate. With the CAS registry number 7507-48-4, it is also named as 1,4-benzenediol, 2-(1,1-dimethylethyl)-, diacetate.
Physical properties about 2-tert-Butyl-1,4-phenylene diacetate are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.67; (4)ACD/BCF (pH 5.5): 62.6; (5)ACD/BCF (pH 7.4): 62.6; (6)ACD/KOC (pH 5.5): 672.37; (7)ACD/KOC (pH 7.4): 672.37; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 67.32 cm3; (13)Molar Volume: 231.3 cm3; (14)Polarizability: 26.68×10-24cm3; (15)Surface Tension: 33.9 dyne/cm; (16)Density: 1.081 g/cm3; (17)Flash Point: 161.8 °C; (18)Enthalpy of Vaporization: 58.04 kJ/mol; (19)Boiling Point: 337.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000107 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(OC(=O)C)cc1C(C)(C)C)C
(2)InChI: InChI=1/C14H18O4/c1-9(15)17-11-6-7-13(18-10(2)16)12(8-11)14(3,4)5/h6-8H,1-5H3
(3)InChIKey: SJRALGDWZXRRKL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C14H18O4/c1-9(15)17-11-6-7-13(18-10(2)16)12(8-11)14(3,4)5/h6-8H,1-5H3
(5)Std. InChIKey: SJRALGDWZXRRKL-UHFFFAOYSA-N
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